5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine

C10H12N6O3 — CID 155127187

IUPAC5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(C(C[N+](=O)[O-])c2ccco2)c(N)n1
InChIInChI=1S/C10H12N6O3/c11-8-7(9(12)15-10(13)14-8)5(4-16(17)18)6-2-1-3-19-6/h1-3,5H,4H2,(H6,11,12,13,14,15)
InChIKeyRJWWVOUOVLGQMX-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.22
Rot. Bonds4

About 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine

5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine (PubChem CID 155127187) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine
PubChem CID155127187
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(C(C[N+](=O)[O-])c2ccco2)c(N)n1
InChIInChI=1S/C10H12N6O3/c11-8-7(9(12)15-10(13)14-8)5(4-16(17)18)6-2-1-3-19-6/h1-3,5H,4H2,(H6,11,12,13,14,15)
InChIKeyRJWWVOUOVLGQMX-UHFFFAOYSA-N
XLogP0.22
TPSA160.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-Furanylmethyl)-2,4-pyrimidinediamine
CID 13058921
6-(Cyclohexylmethoxy)-5-(furan-2-yl)pyrimidine-2,4-diamine
CID 46221880
1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone
CID 5158801
5-(Furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 17882219
5-[Furan-2-yl(phenyl)methyl]pyrimidine
CID 53803937
1-[4,6-Diamino-5-(furan-2-ylmethyl)pyrimidin-2-yl]ethanethiol
CID 57142520
7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine
CID 90807244
5-N-[2-(dimethylamino)ethoxy]-7-(furan-2-yl)-4-methyl-7,8-dihydroquinazoline-2,5-diamine
CID 91424791
5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 123357718
7-(Furan-2-yl)-4-methyl-5-nitroso-5,6,7,8-tetrahydroquinazolin-2-amine
CID 123410295
6-[2-(Furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine
CID 144903127
Methyl 4-[[2-[2-nitro-1-(2,4,6-triaminopyrimidin-5-yl)ethyl]phenoxy]methyl]benzoate
CID 155127116

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine (CID 155127187) is 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine is Nc1nc(N)c(C(C[N+](=O)[O-])c2ccco2)c(N)n1.
What is the InChIKey of 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine?
The InChIKey is RJWWVOUOVLGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c11-8-7(9(12)15-10(13)14-8)5(4-16(17)18)6-2-1-3-19-6/h1-3,5H,4H2,(H6,11,12,13,14,15).
What are the key properties of 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine?
5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine has a molecular weight of 264.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-yl)-2-nitroethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155127187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).